Molecular formula
C12H20O

SMILES
CCC1=C(C(C(CC1=O)C)(C)C)C

Fragrance
Woody	60.98%
Fruity	59.94%
Herbal	58.82%
Camphoreous	50.31%
Mint	49.0%
Spicy	47.42%
Tobacco	40.58%
Sweet	40.55%
Dry	32.22%
Earthy	32.0%

 

Flavor
Woody	67.96%
Herbal	59.65%
Camphor	49.48%
Minty	43.82%
Phenolic	35.64%
Spicy	35.48%
Medicinal	28.5%
Tobacco	28.38%
Pine	26.46%
Spice	24.88%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
9.3 (weak base)

Molecular weight
180.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
234°C

Flash point

• 94.22 ˚C est.

• SCHEMBL4226352

2-Ethyl-3,4,4,5-tetramethylcyclohex-2-en-1-one (CAS number: ), is used primarily as an intermediate and fragrance ingredient; in perfumery it may serve as an aroma component and potential fixative; in cosmetics/personal care it can be used as a fragrance constituent; in household products it may appear as a fragrance additive in cleaners and air fresheners; in coatings/inks it can function as a fragrance additive; in polymer/plastics manufacturing it can serve as an intermediate for fragrance-related polymers.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	520.57
methanol	512.81
isopropanol	571.51
water	2.75
ethyl acetate	586.88
n-propanol	537.74
acetone	676.56
n-butanol	485.74
acetonitrile	903.64
DMF	977.69
toluene	753.49
isobutanol	407.3
1,4-dioxane	1557.15
methyl acetate	661.85
THF	1849.15
2-butanone	739.93
n-pentanol	294.68
sec-butanol	421.82
n-hexane	99.24
ethylene glycol	82.27
NMP	784.2
cyclohexane	243.04
DMSO	407.74
n-butyl acetate	606.29
n-octanol	301.33
chloroform	2239.47
n-propyl acetate	361.12
acetic acid	256.21
dichloromethane	1769.52
cyclohexanone	1205.2
propylene glycol	112.85
isopropyl acetate	405.73
DMAc	546.05
2-ethoxyethanol	305.71
isopentanol	372.64
n-heptane	93.75
ethyl formate	453.14
1,2-dichloroethane	1060.11
n-hexanol	568.37
2-methoxyethanol	575.57
isobutyl acetate	262.78
tetrachloromethane	554.15
n-pentyl acetate	392.94
transcutol	624.43
n-heptanol	293.64
ethylbenzene	381.63
MIBK	385.48
2-propoxyethanol	644.88
tert-butanol	591.24
MTBE	545.01
2-butoxyethanol	359.2
propionic acid	331.62
o-xylene	453.45
formic acid	89.06
diethyl ether	675.32
m-xylene	493.31
p-xylene	505.83
chlorobenzene	853.4
dimethyl carbonate	215.65
n-octane	53.47
formamide	183.69
cyclopentanone	1344.75
2-pentanone	612.32
anisole	575.71
cyclopentyl methyl ether	720.31
gamma-butyrolactone	1247.05
1-methoxy-2-propanol	471.66
pyridine	1196.75
3-pentanone	473.6
furfural	954.83
n-dodecane	40.41
diethylene glycol	334.66
diisopropyl ether	236.81
tert-amyl alcohol	419.77
acetylacetone	515.18
n-hexadecane	48.81
acetophenone	455.15
methyl propionate	460.1
isopentyl acetate	531.83
trichloroethylene	1758.28
n-nonanol	255.6
cyclohexanol	521.81
benzyl alcohol	398.54
2-ethylhexanol	324.08
isooctanol	231.03
dipropyl ether	364.82
1,2-dichlorobenzene	664.28
ethyl lactate	157.02
propylene carbonate	616.96
n-methylformamide	522.93
2-pentanol	334.58
n-pentane	110.18
1-propoxy-2-propanol	477.94
1-methoxy-2-propyl acetate	480.13
2-(2-methoxypropoxy) propanol	280.74
mesitylene	338.35
ε-caprolactone	852.29
p-cymene	280.27
epichlorohydrin	1330.28
1,1,1-trichloroethane	1218.71
2-aminoethanol	193.64
morpholine-4-carbaldehyde	896.56
sulfolane	847.14
2,2,4-trimethylpentane	53.87
2-methyltetrahydrofuran	1091.36
n-hexyl acetate	552.19
isooctane	54.0
2-(2-butoxyethoxy)ethanol	360.81
sec-butyl acetate	276.1
tert-butyl acetate	419.73
decalin	108.77
glycerin	128.35
diglyme	671.62
acrylic acid	253.78
isopropyl myristate	207.64
n-butyric acid	466.7
acetyl acetate	347.32
di(2-ethylhexyl) phthalate	180.05
ethyl propionate	338.11
nitromethane	605.56
1,2-diethoxyethane	438.77
benzonitrile	682.33
trioctyl phosphate	140.09
1-bromopropane	741.28
gamma-valerolactone	1337.8
n-decanol	184.33
triethyl phosphate	179.94
4-methyl-2-pentanol	214.84
propionitrile	828.65
vinylene carbonate	673.1
1,1,2-trichlorotrifluoroethane	512.44
DMS	381.93
cumene	273.28
2-octanol	228.2
2-hexanone	399.83
octyl acetate	255.01
limonene	339.38
1,2-dimethoxyethane	661.22
ethyl orthosilicate	177.02
tributyl phosphate	154.26
diacetone alcohol	377.69
N,N-dimethylaniline	376.67
acrylonitrile	884.4
aniline	587.62
1,3-propanediol	312.37
bromobenzene	912.45
dibromomethane	1206.24
1,1,2,2-tetrachloroethane	1239.98
2-methyl-cyclohexyl acetate	316.3
tetrabutyl urea	197.11
diisobutyl methanol	192.07
2-phenylethanol	522.79
styrene	431.79
dioctyl adipate	229.99
dimethyl sulfate	268.58
ethyl butyrate	375.38
methyl lactate	179.47
butyl lactate	230.9
diethyl carbonate	261.82
propanediol butyl ether	263.38
triethyl orthoformate	256.6
p-tert-butyltoluene	283.3
methyl 4-tert-butylbenzoate	393.84
morpholine	1394.91
tert-butylamine	428.04
n-dodecanol	137.14
dimethoxymethane	653.79
ethylene carbonate	553.65
cyrene	262.57
2-ethoxyethyl acetate	418.01
2-ethylhexyl acetate	435.19
1,2,4-trichlorobenzene	715.99
4-methylpyridine	1171.49
dibutyl ether	313.09
2,6-dimethyl-4-heptanol	192.07
DEF	529.93
dimethyl isosorbide	547.82
tetrachloroethylene	899.02
eugenol	348.18
triacetin	327.8
span 80	269.18
1,4-butanediol	118.63
1,1-dichloroethane	1225.26
2-methyl-1-pentanol	251.32
methyl formate	422.9
2-methyl-1-butanol	338.15
n-decane	71.94
butyronitrile	760.23
3,7-dimethyl-1-octanol	247.63
1-chlorooctane	257.44
1-chlorotetradecane	100.88
n-nonane	69.82
undecane	53.07
tert-butylcyclohexane	97.72
cyclooctane	82.88
cyclopentanol	567.36
tetrahydropyran	1405.38
tert-amyl methyl ether	377.73
2,5,8-trioxanonane	427.52
1-hexene	291.68
2-isopropoxyethanol	244.88
2,2,2-trifluoroethanol	139.04
methyl butyrate	418.98

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